2-(Aminomethyl)-5-methylpyrazine

HCID 2756496

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부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 132664-85-8
표준 SMILES: Cc1cnc(CN)cn1
InChIKey: MPBCUCGKHDEUDD-UHFFFAOYSA-N
분자식: C6H9N3
평균 분자량: 123.16 g/mol
단동위원소 질량: 123.07964729

이름 및 식별자

우선 이름: 2-(Aminomethyl)-5-methylpyrazine
IUPAC: (5-methylpyrazin-2-yl)methanamine
영어명: 2-(Aminomethyl)-5-methylpyrazine
분자식: C6H9N3
분자량: 123.16

이름 및 동의어

2-(Aminomethyl)-5-methylpyrazine132664-85-8DTXSID90373396RefChem:253126DTXCID30324428671-087-6(5-methylpyrazin-2-yl)methanamineMFCD013145422-Pyrazinemethanamine, 5-methyl-(5-methylpyrazin-2-yl)methylamine1-(5-methylpyrazin-2-yl)methanamine5-Methyl-2-pyrazinemethanamine; (5-Methylpyrazin-2-yl)methanamine; 1-(5-Methyl-2-pyrazinyl)methanamine

이름 더 보기

2-PyrazineMethanaMine,5-Methyl-(5-methyl-2-pyrazinyl)methanamine1-(5-Methyl-2-pyrazinyl)methanamine2-(Aminomethyl)-5-methylpyrazine >2-(AMinoMethyl)-5-Methylpyrazine HCL2-(AMINOMETHYL)-5-METHYLPYRAZINE 97%

Pyrazinemethanamine, 5-methyl-2-aminomethyl-5-methylpyrazineSCHEMBL54765-aminomethyl-2-methylpyrazine5-methyl-2-pyrazinemethanamineSCHEMBL4706525SCHEMBL14793643SCHEMBL29412844

데이터베이스 식별자

CAS: 132664-85-8
PubChem CID: 2756496
DTXSID: DTXSID90373396
EC Number: 671-087-6
Nikkaji: J254.867D

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 84.4

물리화학적 성질

끓는 점: 216.2 · 216.2±35.0 °C(Predicted)
밀도: 1.09 · 1.09
굴절률: 1.538 · 1.5380-1.5430
저장 조건: Refrigerator
산도 계수 (pKa): 6.94 · 6.94±0.29(Predicted)
물리적 상태: 투명한 액체
색상: Colorless to Yellow to Green
Specific Gravity: 1.09 · 1.09
InChI: InChI=1S/C6H9N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,2,7H2,1H3
InChIKey: MPBCUCGKHDEUDD-UHFFFAOYSA-N
SMILES: C1(CN)=NC=C(C)N=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (92.9%)

안전 데이터

ridadr: 2735
HS 번호: 2933998090
risk_code: 21/22-34-41-37/38-22
hazard_code: Xn
safety_code: 26-36/37/39-39
포장분류: II
위험 등급: 8

화학 및 산업

응용 분야 · 1건

개요2-(Aminomethyl)-5-methylpyrazine can be used as a pharmaceutical synthesis intermediate, for example, to prepare pyrocatecholamide, which is an antiplatelet drug with a dual inhibitory action. This substance can be prepared from 2,5-dimethylpyrazine as a reaction raw material.